diethyl 2-[[[1-(cyanomethyl)-5-methyl-4-(phenylcarbonyl)pyrrol-3-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[1-(cyanomethyl)-5-methyl-4-(phenylcarbonyl)pyrrol-3-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[4-benzoyl-1-(cyanomethyl)-5-methyl-pyrrol-3-yl]amino]methylene]propanedioate CAS Name: 2-[[[4-benzoyl-1-(cyanomethyl)-5-methyl-3-pyrrolyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[[4-benzoyl-1-(cyanomethyl)-5-methylpyrrol-3-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[4-benzoyl-1-(cyanomethyl)-5-methyl-pyrrol-3-yl]amino]methylene]malonic acid diethyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CN(C(=C1C(=O)C2=CC=CC=C2)C)CC#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=CN(C(=C1C(=O)C2=CC=CC=C2)C)CC#N)C(=O)OCC

InChI

InChI=1S/C22H23N3O5/c1-4-29-21(27)17(22(28)30-5-2)13-24-18-14-25(12-11-23)15(3)19(18)20(26)16-9-7-6-8-10-16/h6-10,13-14,24H,4-5,12H2,1-3H3